2'-Hydroxy-4'-Methoxychalcone
PubChem CID: 5380645
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| Compound Synonyms | 2'-Hydroxy-4'-Methoxychalcone, 39273-61-5, 1-(2-hydroxy-4-methoxyphenyl)-3-phenylprop-2-en-1-one, (E)-1-(2-hydroxy-4-methoxyphenyl)-3-phenylprop-2-en-1-one, CHEMBL317469, (2E)-1-(2-hydroxy-4-methoxyphenyl)-3-phenylprop-2-en-1-one, NSC 102053, 2-Propen-1-one, 1-(2-hydroxy-4-methoxyphenyl)-3-phenyl-, 2-hydroxy-4-methoxychalcone, MFCD00017173, NSC102053, MLS001049022, SCHEMBL3126499, SCHEMBL5088548, cid_5380645, HMS2270L20, BDBM50106922, STK864561, 2'-Hydroxy-4'-methoxychalcone, 98%, AKOS001677233, FH66466, NSC-102053, 52923-29-2, SMR000387034, 2'-Hydroxy-4'-methoxychalcone, AldrichCPR, CS-0357661, G63410, AB00601096-08, AC-776/25122008, SR-01000110804, SR-01000110804-1, Q63393713, Z57101034, (E)-1-(2-Hydroxy-4-methoxy-phenyl)-3-phenyl-propenone, (E)-1-(2-hydroxy-4-methoxy-phenyl)-3-phenyl-prop-2-en-1-one |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 318.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., P14635, P02545, P46063, P51151, P10636, Q9F4F7, Q9Y468, O15118, Q13315, O75164, P04637, Q96KQ7, Q9UIF8, Q96QE3, P87108, P11473, P83916, Q9UNA4, P84022, P08659, Q9UNQ0, O75496, Q99700, P43220, Q77YF9, Q16236, Q9NUW8, Q13148, Q03431, O95398 |
| Iupac Name | (E)-1-(2-hydroxy-4-methoxyphenyl)-3-phenylprop-2-en-1-one |
| Prediction Hob | 1.0 |
| Target Id | NPT483, NPT47, NPT537, NPT51, NPT864, NPT538, NPT524, NPT1422 |
| Xlogp | 4.1 |
| Molecular Formula | C16H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GUNGQVJAKLIYDG-JXMROGBWSA-N |
| Fcsp3 | 0.0625 |
| Logs | -4.89 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.457 |
| Compound Name | 2'-Hydroxy-4'-Methoxychalcone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 254.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 254.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.177735421052631 |
| Inchi | InChI=1S/C16H14O3/c1-19-13-8-9-14(16(18)11-13)15(17)10-7-12-5-3-2-4-6-12/h2-11,18H,1H3/b10-7+ |
| Smiles | COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=CC=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Sissoo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all